Compound Detail
CHEMBL326565
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Basic Information
| ChEMBL ID | CHEMBL326565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGGJBMCZLCJIHX-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
3.37
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.7 | 7.64 | 20.0 | 3 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 20.0 | nM | 7.7 | Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]ketanseri... | 11563927 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]ketanserin from rat 5HT2A expressed in mouse NIH/3T3 cell me... | 28244748 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 30.0 | nM | 7.52 | Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]DOB as ra... | 11563927 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 220.0 | nM | 6.66 | Binding affinity against rat 5-hydroxytryptamine 2C receptor using [3H]mesulergi... | 11563927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11563927 | 10.1021/jm0100739 | 5-hydroxytryptamine receptor 2A | 2 |
| 11563927 | 10.1021/jm0100739 | 5-hydroxytryptamine receptor 2C | 1 |
| 11563927 | 10.1021/jm0100739 | Serotonin receptor 2a and 2c (5HT2A and 5HT2C) | 1 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine